SCHEMBL3897076

SCHEMBL3897076

FC(F)(F)C(Br)C(F)(Br)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
HSD17B10 Q99714 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL409019 0.73 ALDH1A1 (0.50) ALDH1A1HSD17B10
SCHEMBL4854160 0.72 ALDH1A1 (0.41) ALDH1A1HSD17B10
SCHEMBL6623945 0.69 ALDH1A1 (0.39) ALDH1A1HSD17B10
SCHEMBL3897820 0.69 ALDH1A1 (0.40) ALDH1A1HSD17B10
SCHEMBL6622349 0.67 ALDH1A1 (0.30) ALDH1A1HSD17B10
SCHEMBL28550177 0.67 ALDH1A1 (0.30) ALDH1A1HSD17B10
Teflurane SCHEMBL566553 0.65
SCHEMBL6622394 0.65 ALDH1A1 (0.42) ALDH1A1HSD17B10
SCHEMBL404185 0.65 LMNA (0.30)
Teflurane SCHEMBL10432101 0.62 ALDH1A1 (0.47) ALDH1A1HSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1418169-B1 Process for the preparation of polyhalogenoalkylaryl compounds SALTIGO GMBH (DE) 2009-02-25 EP claimed
US-20040092762-A1 Polyhaloalkylaryls LANXESS DEUTSCHLAND GMBH (DE) 2004-05-13 US claimed
US-20040092781-A1 Preparation of polyhaloalkanes BAYER AKTIENGESELLSCHAFT (DE) 2004-05-13 US claimed
EP-1418163-A1 Process for the preparation of polyhaloalkanes Bayer Chemicals AG (DE) 2004-05-12 EP claimed
EP-1418169-A2 Polyhalogenoalkylaryl compounds Bayer Chemicals AG (DE) 2004-05-12 EP claimed
EP-1418169-B1 Process for the preparation of polyhalogenoalkylaryl compounds SALTIGO GMBH (DE) 2009-02-25 EP disclosed
US-20040092762-A1 Polyhaloalkylaryls LANXESS DEUTSCHLAND GMBH (DE) 2004-05-13 US disclosed
US-20040092781-A1 Preparation of polyhaloalkanes BAYER AKTIENGESELLSCHAFT (DE) 2004-05-13 US disclosed
EP-1418163-A1 Process for the preparation of polyhaloalkanes Bayer Chemicals AG (DE) 2004-05-12 EP disclosed
EP-1418169-A2 Polyhalogenoalkylaryl compounds Bayer Chemicals AG (DE) 2004-05-12 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040092762-A1 Polyhaloalkylaryls LIPA, PCBP1, ABHD16A ALDH1A1 2206/4885HSD17B10 1784/4885
US-20040092781-A1 Preparation of polyhaloalkanes PCBP1, CYP4F8, CYP4F3 ALDH1A1 1909/4885HSD17B10 1044/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.